Alternatives and similar repositories for ml-drug-discovery

Users that are interested in ml-drug-discovery are comparing it to the libraries listed below

• chupvl / awesome-ls-ventures
  Awesome list of the data and AI/ML related projects with direct Life Science Companies participation
  ☆34Updated last year
• kochgroup / intro_pharma_ai
  A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.
  ☆154Updated last week
• liugangcode / torch-molecule
  torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inve…
  ☆284Updated last month
• volkamerlab / ai_in_chemistry_workshop
  ai_in_chemistry_workshop
  ☆77Updated last year
• SylwiaNowakowska / LLM_Fine_Tuning_Molecular_Properties
  Fine-tuning of ChemBERTA LLMs to predict molecules' HIV inhibition replication.
  ☆33Updated 2 years ago
• BioSystemsUM / DeepMol
  DeepMol: A Machine and Deep Learning Framework for Computational Chemistry
  ☆159Updated last week
• HUBioDataLab / DrugGEN
  Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…
  ☆70Updated 5 months ago
• azminewasi / Awesome-MoML-NeurIPS24
  ALL Molecular ML papers from NeurIPS'24.
  ☆60Updated 10 months ago
• moleculediscovery / workshop2023
  Repository for the 2023 ELLIS Machine Learning for Molecules Discovery workshop
  ☆19Updated last year
• daenuprobst / molzip
  The gzip classification method implemented for molecule classification.
  ☆55Updated last year
• benb111 / awesome-small-molecule-ml
  A curated list of resources for machine learning for small-molecule drug discovery
  ☆227Updated last year
• ashvardanian / usearch-molecules
  Searching for structural similarities across billions of molecules in milliseconds
  ☆91Updated last year
• felixjwong / antibioticsai
  Supporting code for the paper "Discovery of a structural class of antibiotics with explainable deep learning"
  ☆104Updated last year
• gmum / mldd23
  The repository for the course "Machine Learning in Drug Design" taught at the Jagiellonian University in 2023. The page is hosted by the …
  ☆24Updated 2 years ago
• rinikerlab / GHOST
  ☆49Updated 3 years ago
• virtualramblas / awesome-deep-learning-4-life-sciences
  A collection of resources for Deep Learning in Python for Life Sciences (with focus on biotech and pharma).
  ☆140Updated 3 weeks ago
• OpenBioML / chemnlp
  ChemNLP project
  ☆164Updated this week
• JacksonBurns / chemeleon
  CheMeleon Descriptor-based Foundation Model
  ☆88Updated 2 weeks ago
• xnuohz / awesome-drug-discovery
  A collection of drug discovery, classification and representation learning papers with deep learning.
  ☆42Updated 3 years ago
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆66Updated 3 weeks ago
• ur-whitelab / MDCrow
  Molecular dynamics simulations with an LLM agent
  ☆206Updated 5 months ago
• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆53Updated last week
• MarieOestreich / DrugDiff
  ☆43Updated 5 months ago
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆58Updated 7 months ago
• BenevolentAI / MolBERT
  ☆139Updated 4 years ago
• NVIDIA / cheminformatics
  Facilitates searching, screening, and organizing large chemical databases
  ☆169Updated last year
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆63Updated 3 years ago
• valence-labs / mood-experiments
  Molecular Out-Of-Distribution
  ☆38Updated 5 months ago
• valence-labs / mtl_summer_school_2024
  ☆45Updated last year
• suneelbvs / DiffDock
  Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"
  ☆26Updated 2 years ago